About N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide
N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 11249154) has the molecular formula C23H34F3N3O4S
and a molecular weight of 505.60 g/mol. Its IUPAC name is N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide.
Molecular Properties
| Compound Name | N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide |
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| PubChem CID | 11249154 |
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| Molecular Formula | C23H34F3N3O4S |
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| Molecular Weight | 505.60 g/mol |
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| Exact Mass | 505.22 |
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| IUPAC Name | N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide |
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| SMILES | CN1CCC(C2CCN(C(=O)COCCN(C)S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 |
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| InChI | InChI=1S/C23H34F3N3O4S/c1-27-11-7-18(8-12-27)19-9-13-29(14-10-19)22(30)17-33-16-15-28(2)34(31,32)21-6-4-3-5-20(21)23(24,25)26/h3-6,18-19H,7-17H2,1-2H3 |
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| InChIKey | UQSAJCCORIWSKW-UHFFFAOYSA-N |
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| XLogP | 2.92 |
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| TPSA | 70.16 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 505.60 |
| LogP ≤ 5 | 2.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 11249154) is N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide is CN1CCC(C2CCN(C(=O)COCCN(C)S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1.
What is the InChIKey of N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UQSAJCCORIWSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F3N3O4S/c1-27-11-7-18(8-12-27)19-9-13-29(14-10-19)22(30)17-33-16-15-28(2)34(31,32)21-6-4-3-5-20(21)23(24,25)26/h3-6,18-19H,7-17H2,1-2H3.
What are the key properties of N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 505.60 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11249154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).